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The trends in DeltaEelec for Langevin dipole method and induced polarization charge boundary element method are alike for free base and protonated conformers. The amiloride free base and protonated species are almost planar because of the high rotational torsional barrier around the -C7-C2- bond. Various computational methods reveal that amiloride-water interaction energy are more suited for A4 than A1, as suggested by the higher A4 dipole moment.

Theory of nuclear magnetic resonance spin-spin coupling constants and nature of the three types of coupling mechanisms contributing to the overall spin-spin coupling constant are reviewed, including carbon-carbon coupling (neither containing a lone pair of electrons) and carbon-nitrogen coupling (one containing a lone pair of electrons). (Author/JN)

Hartree-Fock, electron correlation and semiempirical calculations were carried out on the DNA AT-specific intercalator tambjamine E in order to investigate the effect of protonation, side chins, electron correlation, and solvent on the inter-ring NCCN rotational barrier and relative planarity of the A and B rings. These properties relate to the flexibility of tambjamine and the ease by which it could adjust its inter-ring twist angle to adopt the propeller twist of DNA in order to form a nonclassical intercalation complex.

Focuses on the laser technology in the United States. Comparison of military defenses with the Soviet Union; Momentum of the Strategic Defense Initiative, a military plan formulated by Ronald Reagan; Property of lasers.